Drug ID:   | NPD1677 |
Drug Name:   | lanperisone |
Molecular Formula:   | C15H18F3NO |
Canonical SMILES:   | C[C@@H](C(=O)c1ccc(cc1)C(F)(F)F)CN1CCCC1 |
Standard InCHI:   | InChI=1S/C15H18F3NO/c1-11(10-19-8-2-3-9-19)14(20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,2-3,8-10H2,1H3/t11-/m1/s1 |
Standard InCHIKey:   | RYZCWZZJFAKYHX-LLVKDONJSA-N |
Max Developmental Stage:   | Discontinued |
Max Developmental Stage Source:   | TTD |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Intermediate Similarity | 0.8131 | NPC167336 |
Intermediate Similarity | 0.7732 | NPC145053 |
Intermediate Similarity | 0.7629 | NPC190567 |
Intermediate Similarity | 0.7524 | NPC246757 |
Intermediate Similarity | 0.7524 | NPC291070 |
Intermediate Similarity | 0.7451 | NPC69057 |
Intermediate Similarity | 0.7449 | NPC285716 |
Intermediate Similarity | 0.7449 | NPC17408 |
Intermediate Similarity | 0.7423 | NPC36342 |
Intermediate Similarity | 0.7423 | NPC2785 |
Intermediate Similarity | 0.7423 | NPC285470 |
Intermediate Similarity | 0.7353 | NPC160339 |
Intermediate Similarity | 0.7353 | NPC307 |
Intermediate Similarity | 0.7347 | NPC300205 |
Intermediate Similarity | 0.7345 | NPC55529 |
Intermediate Similarity | 0.7333 | NPC133461 |
Intermediate Similarity | 0.732 | NPC245966 |
Intermediate Similarity | 0.729 | NPC256452 |
Intermediate Similarity | 0.7273 | NPC164086 |
Intermediate Similarity | 0.7264 | NPC153885 |
Intermediate Similarity | 0.7255 | NPC252067 |
Intermediate Similarity | 0.7245 | NPC103488 |
Intermediate Similarity | 0.7228 | NPC197581 |
Intermediate Similarity | 0.72 | NPC12936 |
Intermediate Similarity | 0.72 | NPC273033 |
Intermediate Similarity | 0.7196 | NPC238219 |
Intermediate Similarity | 0.713 | NPC260233 |
Intermediate Similarity | 0.7103 | NPC1682 |
Intermediate Similarity | 0.7103 | NPC188844 |
Intermediate Similarity | 0.7103 | NPC323420 |
Intermediate Similarity | 0.7103 | NPC155232 |
Intermediate Similarity | 0.71 | NPC71664 |
Intermediate Similarity | 0.7075 | NPC58872 |
Intermediate Similarity | 0.7075 | NPC173413 |
Intermediate Similarity | 0.7075 | NPC277277 |
Intermediate Similarity | 0.7064 | NPC219573 |
Intermediate Similarity | 0.7064 | NPC185208 |
Intermediate Similarity | 0.7059 | NPC273758 |
Intermediate Similarity | 0.7059 | NPC113099 |
Intermediate Similarity | 0.7048 | NPC157778 |
Intermediate Similarity | 0.7037 | NPC474974 |
Intermediate Similarity | 0.703 | NPC231986 |
Intermediate Similarity | 0.703 | NPC100039 |
Intermediate Similarity | 0.7009 | NPC284475 |
Intermediate Similarity | 0.7 | NPC239185 |
Remote Similarity | 0.6952 | NPC305602 |
Remote Similarity | 0.6952 | NPC43945 |
Remote Similarity | 0.6952 | NPC17497 |
Remote Similarity | 0.6944 | NPC59677 |
Remote Similarity | 0.6937 | NPC75724 |
Remote Similarity | 0.6937 | NPC49994 |
Remote Similarity | 0.6937 | NPC134882 |
Remote Similarity | 0.6911 | NPC177684 |
Remote Similarity | 0.6911 | NPC291962 |
Remote Similarity | 0.6907 | NPC285679 |
Remote Similarity | 0.6905 | NPC285394 |
Remote Similarity | 0.6887 | NPC267262 |
Remote Similarity | 0.6887 | NPC153308 |
Remote Similarity | 0.6881 | NPC71140 |
Remote Similarity | 0.6881 | NPC289883 |
Remote Similarity | 0.688 | NPC26285 |
Remote Similarity | 0.6863 | NPC73978 |
Remote Similarity | 0.6855 | NPC258531 |
Remote Similarity | 0.6855 | NPC112373 |
Remote Similarity | 0.6855 | NPC27833 |
Remote Similarity | 0.6855 | NPC161956 |
Remote Similarity | 0.685 | NPC79698 |
Remote Similarity | 0.6847 | NPC265220 |
Remote Similarity | 0.6832 | NPC139901 |
Remote Similarity | 0.6832 | NPC151405 |
Remote Similarity | 0.6822 | NPC113307 |
Remote Similarity | 0.6814 | NPC476993 |
Remote Similarity | 0.6814 | NPC109514 |
Remote Similarity | 0.6804 | NPC74458 |
Remote Similarity | 0.6794 | NPC473962 |
Remote Similarity | 0.6789 | NPC473661 |
Remote Similarity | 0.6786 | NPC322598 |
Remote Similarity | 0.6774 | NPC226143 |
Remote Similarity | 0.6765 | NPC157055 |
Remote Similarity | 0.6765 | NPC95868 |
Remote Similarity | 0.6759 | NPC19256 |
Remote Similarity | 0.6744 | NPC305717 |
Remote Similarity | 0.6733 | NPC137847 |
Remote Similarity | 0.6733 | NPC76455 |
Remote Similarity | 0.6731 | NPC324624 |
Remote Similarity | 0.6731 | NPC215008 |
Remote Similarity | 0.6731 | NPC39600 |
Remote Similarity | 0.6731 | NPC149263 |
Remote Similarity | 0.6701 | NPC95289 |
Remote Similarity | 0.6698 | NPC164526 |
Remote Similarity | 0.6696 | NPC247976 |
Remote Similarity | 0.6667 | NPC281104 |
Remote Similarity | 0.6667 | NPC181390 |
Remote Similarity | 0.6667 | NPC257490 |
Remote Similarity | 0.6667 | NPC418308 |
Remote Similarity | 0.6639 | NPC158854 |
Remote Similarity | 0.6635 | NPC230068 |
Remote Similarity | 0.6634 | NPC9796 |
Remote Similarity | 0.6634 | NPC329318 |
Remote Similarity | 0.6614 | NPC291027 |
Remote Similarity | 0.6614 | NPC213126 |
Remote Similarity | 0.6614 | NPC84281 |
Remote Similarity | 0.6614 | NPC317474 |
Remote Similarity | 0.6614 | NPC169485 |
Remote Similarity | 0.661 | NPC172170 |
Remote Similarity | 0.6602 | NPC477703 |
Remote Similarity | 0.6598 | NPC98880 |
Remote Similarity | 0.6591 | NPC126458 |
Remote Similarity | 0.6589 | NPC470343 |
Remote Similarity | 0.6589 | NPC472244 |
Remote Similarity | 0.6585 | NPC473573 |
Remote Similarity | 0.6581 | NPC143516 |
Remote Similarity | 0.6581 | NPC473418 |
Remote Similarity | 0.6574 | NPC473345 |
Remote Similarity | 0.6552 | NPC472691 |
Remote Similarity | 0.6552 | NPC471829 |
Remote Similarity | 0.6552 | NPC475939 |
Remote Similarity | 0.6552 | NPC474866 |
Remote Similarity | 0.6552 | NPC202613 |
Remote Similarity | 0.6549 | NPC472258 |
Remote Similarity | 0.6545 | NPC103346 |
Remote Similarity | 0.6535 | NPC78500 |
Remote Similarity | 0.6525 | NPC474973 |
Remote Similarity | 0.6525 | NPC100767 |
Remote Similarity | 0.6525 | NPC472699 |
Remote Similarity | 0.6525 | NPC474804 |
Remote Similarity | 0.6525 | NPC130898 |
Remote Similarity | 0.6525 | NPC45033 |
Remote Similarity | 0.6525 | NPC472700 |
Remote Similarity | 0.6522 | NPC472879 |
Remote Similarity | 0.6522 | NPC473325 |
Remote Similarity | 0.6518 | NPC472880 |
Remote Similarity | 0.6514 | NPC298115 |
Remote Similarity | 0.6505 | NPC272260 |
Remote Similarity | 0.6496 | NPC329282 |
Remote Similarity | 0.6495 | NPC311343 |
Remote Similarity | 0.6471 | NPC472683 |
Remote Similarity | 0.6471 | NPC472695 |
Remote Similarity | 0.6471 | NPC472696 |
Remote Similarity | 0.6471 | NPC472701 |
Remote Similarity | 0.6471 | NPC298023 |
Remote Similarity | 0.6466 | NPC25458 |
Remote Similarity | 0.6457 | NPC279385 |
Remote Similarity | 0.6457 | NPC179605 |
Remote Similarity | 0.6455 | NPC67585 |
Remote Similarity | 0.6455 | NPC110420 |
Remote Similarity | 0.6455 | NPC303967 |
Remote Similarity | 0.6441 | NPC476198 |
Remote Similarity | 0.6439 | NPC150863 |
Remote Similarity | 0.6423 | NPC57051 |
Remote Similarity | 0.6417 | NPC470252 |
Remote Similarity | 0.6417 | NPC473676 |
Remote Similarity | 0.6415 | NPC474088 |
Remote Similarity | 0.6412 | NPC119326 |
Remote Similarity | 0.641 | NPC471317 |
Remote Similarity | 0.6406 | NPC103292 |
Remote Similarity | 0.6404 | NPC240042 |
Remote Similarity | 0.6391 | NPC179224 |
Remote Similarity | 0.6391 | NPC280807 |
Remote Similarity | 0.6391 | NPC472245 |
Remote Similarity | 0.6391 | NPC314431 |
Remote Similarity | 0.6387 | NPC37914 |
Remote Similarity | 0.6387 | NPC185763 |
Remote Similarity | 0.6387 | NPC83409 |
Remote Similarity | 0.6383 | NPC297322 |
Remote Similarity | 0.6373 | NPC271642 |
Remote Similarity | 0.6371 | NPC472164 |
Remote Similarity | 0.6371 | NPC246904 |
Remote Similarity | 0.6364 | NPC325709 |
Remote Similarity | 0.6357 | NPC39818 |
Remote Similarity | 0.6337 | NPC208075 |
Remote Similarity | 0.6328 | NPC200964 |
Remote Similarity | 0.6325 | NPC304873 |
Remote Similarity | 0.6324 | NPC162417 |
Remote Similarity | 0.6324 | NPC316104 |
Remote Similarity | 0.632 | NPC188010 |
Remote Similarity | 0.6311 | NPC179726 |
Remote Similarity | 0.6311 | NPC474057 |
Remote Similarity | 0.6311 | NPC265513 |
Remote Similarity | 0.6308 | NPC254698 |
Remote Similarity | 0.6306 | NPC274455 |
Remote Similarity | 0.6306 | NPC86670 |
Remote Similarity | 0.6306 | NPC70940 |
Remote Similarity | 0.6306 | NPC84288 |
Remote Similarity | 0.6303 | NPC474910 |
Remote Similarity | 0.6303 | NPC172483 |
Remote Similarity | 0.6296 | NPC123476 |
Remote Similarity | 0.6293 | NPC217621 |
Remote Similarity | 0.6275 | NPC98976 |
Remote Similarity | 0.6275 | NPC276699 |
Remote Similarity | 0.6271 | NPC329556 |
Remote Similarity | 0.6271 | NPC274443 |
Remote Similarity | 0.627 | NPC285926 |
Remote Similarity | 0.627 | NPC315276 |
Remote Similarity | 0.627 | NPC14672 |
Remote Similarity | 0.6269 | NPC69496 |
Remote Similarity | 0.626 | NPC292834 |
Remote Similarity | 0.626 | NPC280789 |
Remote Similarity | 0.625 | NPC110704 |
Remote Similarity | 0.625 | NPC471447 |
TTD   | DIB000581 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 285.13 |
ALogP   | 0.6011 |
MLogP   | 2.56 |
XLogP   | 3.894 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 9 |
TPSA   | 20.31 |
RO5 Violation   | 0 |